Information card for entry 1560491

Structure parameters

• Formula: C56 H58 Li2 Mg2 O20
• Calculated formula: C56 H58 Li2 Mg2 O20
• SMILES: [Li]123[O]4[Mg]567([O]=C(c8c4cccc8)OC)[O]1(c1ccccc1C(=[O]2)OC)[Mg]124([O]([Li]8([O]5c5ccccc5C(=[O]6)OC)[O]72c2ccccc2C(=[O]8)OC)c2ccccc2C(=[O]1)OC)[O]3c1ccccc1C(=[O]4)OC.O1CCCC1.O1CCCC1
• Title of publication: Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste
• Authors of publication: Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2449 - 2465
• a: 11.256 ± 0.003 Å
• b: 11.97 ± 0.003 Å
• c: 12.208 ± 0.003 Å
• α: 74.86 ± 0.02°
• β: 64.78 ± 0.02°
• γ: 63.45 ± 0.02°
• Cell volume: 1326 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No